6-tert-butyl-6-azabicyclo[3.2.1]octane

C11H21N — CID 153491969

IUPAC6-tert-butyl-6-azabicyclo[3.2.1]octane
SMILESCC(C)(C)N1CC2CCCC1C2
InChIInChI=1S/C11H21N/c1-11(2,3)12-8-9-5-4-6-10(12)7-9/h9-10H,4-8H2,1-3H3
InChIKeyDUTKXUYSEWDQDM-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.66
Rot. Bonds

About 6-tert-butyl-6-azabicyclo[3.2.1]octane

6-tert-butyl-6-azabicyclo[3.2.1]octane (PubChem CID 153491969) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 6-tert-butyl-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-tert-butyl-6-azabicyclo[3.2.1]octane
PubChem CID153491969
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name6-tert-butyl-6-azabicyclo[3.2.1]octane
SMILESCC(C)(C)N1CC2CCCC1C2
InChIInChI=1S/C11H21N/c1-11(2,3)12-8-9-5-4-6-10(12)7-9/h9-10H,4-8H2,1-3H3
InChIKeyDUTKXUYSEWDQDM-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,4R)-2-tert-butyl-2-azabicyclo[2.2.1]heptane
CID 58465134
(5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane
CID 146426777
bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane
CID 167619112
2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;ethane
CID 161246587
6-propan-2-yl-6-azabicyclo[3.2.1]octane
CID 45095908
(1S,4S)-2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 160727346
2-tert-butyl-2-azabicyclo[3.2.2]nonane
CID 58465122
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
1-(6-azabicyclo[3.2.1]octan-6-yl)propane-1-thione
CID 154095359
2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine
CID 62535883
(1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane
CID 169076055
3-methylsulfonyl-3-azabicyclo[3.3.1]nonane
CID 130479813

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-6-azabicyclo[3.2.1]octane?
The IUPAC name of 6-tert-butyl-6-azabicyclo[3.2.1]octane (CID 153491969) is 6-tert-butyl-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-tert-butyl-6-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-tert-butyl-6-azabicyclo[3.2.1]octane is CC(C)(C)N1CC2CCCC1C2.
What is the InChIKey of 6-tert-butyl-6-azabicyclo[3.2.1]octane?
The InChIKey is DUTKXUYSEWDQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-11(2,3)12-8-9-5-4-6-10(12)7-9/h9-10H,4-8H2,1-3H3.
What are the key properties of 6-tert-butyl-6-azabicyclo[3.2.1]octane?
6-tert-butyl-6-azabicyclo[3.2.1]octane has a molecular weight of 167.30 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 153491969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).